1-(1,3-Benzoxazol-2-yl)ethanone

Basic Information

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CAS Number

122433-29-8

Molecular Formula

C9H7NO2

Molecular Weight

161.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

272.9°C at 760 mmHg

SMILES

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CC(=O)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C9H7NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3

InChIKey

ZCNHSDWCQINSDF-UHFFFAOYSA-N

LogP

2.0303999999999998

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethanone, 1-(2-benzoxazolyl)-
DTXSID70561855
A15177
FS-3010
SCHEMBL5175392
AM20020311
FT-0702460
1-(1,3-benzoxazol-2-yl)ethanone
MFCD00223823
1-(benzo[d]oxazol-2-yl)ethanone
CS-W019416
J-503494
1-(1,3-benzoxazol-2-yl)ethan-1-one
Ethanone, 1-(2-benzoxazolyl)- (9CI)
AKOS015900164
122433-29-8
1-(Benzo[d]oxazol-2-yl)ethanone
Ethanone,1-(2-benzoxazolyl)-
FCH1117187
RP22402
BC210036
AB0035223
ST2408595
AX8164093
X9519

MDL Number

MFCD00223823

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(1,3-Benzoxazol-2-yl)ethanone (CAS: 122433-29-8)?

1-(1,3-Benzoxazol-2-yl)ethanone is a white or off-white crystalline solid. The molecular weight is approximately 198.22 g/mol. It is slightly soluble in water but more soluble in common organic solvents like ethanol and acetone. Chemically, it is less reactive towards common reagents but shows good reactivity in certain functional group transformations.

How is 1-(1,3-Benzoxazol-2-yl)ethanone (CAS: 122433-29-8) typically synthesized?

1-(1,3-Benzoxazol-2-yl)ethanone can be synthesized via a condensation reaction between 2-bromobenzoxazole and ethanoyl chloride in the presence of a base like triethylamine. The reaction is typically carried out in an organic solvent such as dichloromethane. The yield is generally around 70-80%, and the product is purified by recrystallization from ethanol.

What industries use 1-(1,3-Benzoxazol-2-yl)ethanone (CAS: 122433-29-8)?

1-(1,3-Benzoxazol-2-yl)ethanone is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It also finds applications in the polymer industry as a monomer or intermediate, and in the sensor industry for its sensing properties towards specific analytes.

What precautions should be taken when handling 1-(1,3-Benzoxazol-2-yl)ethanone (CAS: 122433-29-8)?

When handling 1-(1,3-Benzoxazol-2-yl)ethanone, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up using appropriate absorbent materials. Should exposure occur, seek medical attention immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.